1-Phenyl-3-chloro-1-propyne

C₉H₇ClCAS 3355-31-5150.60 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₉H₇Cl
Molar mass: 150.60 g/mol
Exact mass: 150.0236 Da
logP: 2.28Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3355-31-5

SMILES

C1=CC=C(C=C1)C#CCCl

InChIKey

RMPSZEZJKSUNKR-UHFFFAOYSA-N

InChI

InChI=1S/C9H7Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(3-Chloroprop-1-yn-1-yl)benzene

Work with 1-Phenyl-3-chloro-1-propyne

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Phenyl-2-propyn-1-ol1504-58-154 % similar 1-Phenyl-1-butyne622-76-454 % similar Diphenylacetylene501-65-552 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-050 % similar 1-Pentyn-1-ylbenzene4250-81-150 % similar Diphenylbutadiyne886-66-848 % similar 1-Hexyn-1-ylbenzene1129-65-347 % similar 1-Heptyn-1-ylbenzene14374-45-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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